(3R)-1-[[4-(2-tert-butyl-6-methyl-phenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: (3R)-1-[[4-(2-tert-butyl-6-methyl-phenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3R)-1-[[4-(2-tert-butyl-6-methyl-phenoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (3R)-1-[[4-(2-tert-butyl-6-methylphenoxy)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3R)-1-[[4-(2-tert-butyl-6-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (3R)-1-[4-(2-tert-butyl-6-methyl-phenoxy)benzyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OC2=CC=C(C=C2)CN3CC(CC3=O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OC2=CC=C(C=C2)CN3C[C@@H](CC3=O)C(=O)O

InChI

InChI=1S/C23H27NO4/c1-15-6-5-7-19(23(2,3)4)21(15)28-18-10-8-16(9-11-18)13-24-14-17(22(26)27)12-20(24)25/h5-11,17H,12-14H2,1-4H3,(H,26,27)/t17-/m1/s1